7AKA

Structure of DYRK1A in complex with compound 54

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	polymer	359	41647.1	2	UniProt (Q13627) Pfam (PF00069)	Homo sapiens (Human)	Dual specificity YAK1-related kinase,HP86,Protein kinase minibrain homolog,hMNB
2	C, E (A, B)	4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine	non-polymer		375.4	2	Chemie (RK2)
3	D (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
4	F (B)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
5	G (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	H, I (A, B)	water	water		18.0	318	Chemie (HOH)

Sequence modifications

A, B: 148 - 485 (UniProt: Q13627)

PDB	External Database	Details
Met 127	-	initiating methionine
Gly 128	-	expression tag
Ser 129	-	expression tag
Ser 130	-	expression tag
His 131	-	expression tag
His 132	-	expression tag
His 133	-	expression tag
His 134	-	expression tag
His 135	-	expression tag
His 136	-	expression tag
Ser 137	-	expression tag
Ser 138	-	expression tag
Gly 139	-	expression tag
Leu 140	-	expression tag
Val 141	-	expression tag
Pro 142	-	expression tag
Arg 143	-	expression tag
Gly 144	-	expression tag
Sep 145	-	expression tag
His 146	-	expression tag
Met 147	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83294.3
Non-Polymers*	Number of molecules	5
	Total formula weight	959.4
All*	Total formula weight	84253.7

*Water molecules are not included.